4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene

C270H336N12 — CID 160714623

IUPAC4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene
SMILESCCCCCCc1c(CCCCCC)c2c3ccccc3c3c(c4c5ccccc5c5c(CCCCCC)c(CCCCCC)c(CCCCCC)n5c4c4c5ccccc5c5c(CCCCCC)c(CCCCCC)c(CCCCCC)n5c34)n2c1CCCCCC.CCCCCCc1cc2c3ccccc3c3c(c4c5ccccc5c5cc(CCCCCC)c(CCCCCC)n5c4c4c5ccccc5c5cc(CCCCCC)c(CCCCCC)n5c34)n2c1CCCCCC.CCCCCCc1cc2c3ccccc3c3c(c4c5ccccc5c5cc(CCCCCC)cn5c4c4c5ccccc5c5cc(CCCCCC)cn5c34)n2c1.CCCCCCc1ccc2c3ccccc3c3c(c4c5ccccc5c5ccc(CCCCCC)n5c4c4c5ccccc5c5ccc(CCCCCC)n5c34)n12
InChIInChI=1S/C90H129N3.C72H93N3.2C54H57N3/c1-10-19-28-37-52-67-73(58-40-31-22-13-4)85-76-61-49-46-55-70(76)82-88(91(85)79(67)64-43-34-25-16-7)83-71-56-47-50-62-77(71)86-74(59-41-32-23-14-5)68(53-38-29-20-11-2)81(66-45-36-27-18-9)93(86)90(83)84-72-57-48-51-63-78(72)87-75(60-42-33-24-15-6)69(54-39-30-21-12-3)80(92(87)89(82)84)65-44-35-26-17-8;1-7-13-19-25-37-52-49-64-55-40-31-34-43-58(55)67-70(73(64)61(52)46-28-22-16-10-4)68-59-44-35-32-41-56(59)65-50-53(38-26-20-14-8-2)63(48-30-24-18-12-6)75(65)72(68)69-60-45-36-33-42-57(60)66-51-54(39-27-21-15-9-3)62(74(66)71(67)69)47-29-23-17-11-5;1-4-7-10-13-22-37-31-46-40-25-16-19-28-43(40)49-52(55(46)34-37)50-44-29-20-17-26-41(44)47-32-38(23-14-11-8-5-2)36-57(47)54(50)51-45-30-21-18-27-42(45)48-33-39(24-15-12-9-6-3)35-56(48)53(49)51;1-4-7-10-13-22-37-31-34-46-40-25-16-19-28-43(40)49-52(55(37)46)50-44-29-20-17-26-41(44)47-35-32-38(23-14-11-8-5-2)56(47)54(50)51-45-30-21-18-27-42(45)48-36-33-39(57(48)53(49)51)24-15-12-9-6-3/h46-51,55-57,61-63H,10-45,52-54,58-60,64-66H2,1-9H3;31-36,40-45,49-51H,7-30,37-39,46-48H2,1-6H3;2*16-21,25-36H,4-15,22-24H2,1-3H3
InChIKeyRSHPVWKBQYVVAG-UHFFFAOYSA-N
MW3749.74 g/mol
LogP82.03
Rot. Bonds105

About 4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene

4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene (PubChem CID 160714623) has the molecular formula C270H336N12 and a molecular weight of 3749.74 g/mol. Its IUPAC name is 4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene.

Molecular Properties

Compound Name4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene
PubChem CID160714623
Molecular FormulaC270H336N12
Molecular Weight3749.74 g/mol
Exact Mass3746.67
IUPAC Name4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene
SMILESCCCCCCc1c(CCCCCC)c2c3ccccc3c3c(c4c5ccccc5c5c(CCCCCC)c(CCCCCC)c(CCCCCC)n5c4c4c5ccccc5c5c(CCCCCC)c(CCCCCC)c(CCCCCC)n5c34)n2c1CCCCCC.CCCCCCc1cc2c3ccccc3c3c(c4c5ccccc5c5cc(CCCCCC)c(CCCCCC)n5c4c4c5ccccc5c5cc(CCCCCC)c(CCCCCC)n5c34)n2c1CCCCCC.CCCCCCc1cc2c3ccccc3c3c(c4c5ccccc5c5cc(CCCCCC)cn5c4c4c5ccccc5c5cc(CCCCCC)cn5c34)n2c1.CCCCCCc1ccc2c3ccccc3c3c(c4c5ccccc5c5ccc(CCCCCC)n5c4c4c5ccccc5c5ccc(CCCCCC)n5c34)n12
InChIInChI=1S/C90H129N3.C72H93N3.2C54H57N3/c1-10-19-28-37-52-67-73(58-40-31-22-13-4)85-76-61-49-46-55-70(76)82-88(91(85)79(67)64-43-34-25-16-7)83-71-56-47-50-62-77(71)86-74(59-41-32-23-14-5)68(53-38-29-20-11-2)81(66-45-36-27-18-9)93(86)90(83)84-72-57-48-51-63-78(72)87-75(60-42-33-24-15-6)69(54-39-30-21-12-3)80(92(87)89(82)84)65-44-35-26-17-8;1-7-13-19-25-37-52-49-64-55-40-31-34-43-58(55)67-70(73(64)61(52)46-28-22-16-10-4)68-59-44-35-32-41-56(59)65-50-53(38-26-20-14-8-2)63(48-30-24-18-12-6)75(65)72(68)69-60-45-36-33-42-57(60)66-51-54(39-27-21-15-9-3)62(74(66)71(67)69)47-29-23-17-11-5;1-4-7-10-13-22-37-31-46-40-25-16-19-28-43(40)49-52(55(46)34-37)50-44-29-20-17-26-41(44)47-32-38(23-14-11-8-5-2)36-57(47)54(50)51-45-30-21-18-27-42(45)48-33-39(24-15-12-9-6-3)35-56(48)53(49)51;1-4-7-10-13-22-37-31-34-46-40-25-16-19-28-43(40)49-52(55(37)46)50-44-29-20-17-26-41(44)47-35-32-38(23-14-11-8-5-2)56(47)54(50)51-45-30-21-18-27-42(45)48-36-33-39(57(48)53(49)51)24-15-12-9-6-3/h46-51,55-57,61-63H,10-45,52-54,58-60,64-66H2,1-9H3;31-36,40-45,49-51H,7-30,37-39,46-48H2,1-6H3;2*16-21,25-36H,4-15,22-24H2,1-3H3
InChIKeyRSHPVWKBQYVVAG-UHFFFAOYSA-N
XLogP82.03
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds105
Heavy Atoms282
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003749.74
LogP ≤ 582.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene?
The IUPAC name of 4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene (CID 160714623) is 4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene.
What is the SMILES notation for 4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene?
The canonical SMILES for 4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene is CCCCCCc1c(CCCCCC)c2c3ccccc3c3c(c4c5ccccc5c5c(CCCCCC)c(CCCCCC)c(CCCCCC)n5c4c4c5ccccc5c5c(CCCCCC)c(CCCCCC)c(CCCCCC)n5c34)n2c1CCCCCC.CCCCCCc1cc2c3ccccc3c3c(c4c5ccccc5c5cc(CCCCCC)c(CCCCCC)n5c4c4c5ccccc5c5cc(CCCCCC)c(CCCCCC)n5c34)n2c1CCCCCC.CCCCCCc1cc2c3ccccc3c3c(c4c5ccccc5c5cc(CCCCCC)cn5c4c4c5ccccc5c5cc(CCCCCC)cn5c34)n2c1.CCCCCCc1ccc2c3ccccc3c3c(c4c5ccccc5c5ccc(CCCCCC)n5c4c4c5ccccc5c5ccc(CCCCCC)n5c34)n12.
What is the InChIKey of 4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene?
The InChIKey is RSHPVWKBQYVVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H129N3.C72H93N3.2C54H57N3/c1-10-19-28-37-52-67-73(58-40-31-22-13-4)85-76-61-49-46-55-70(76)82-88(91(85)79(67)64-43-34-25-16-7)83-71-56-47-50-62-77(71)86-74(59-41-32-23-14-5)68(53-38-29-20-11-2)81(66-45-36-27-18-9)93(86)90(83)84-72-57-48-51-63-78(72)87-75(60-42-33-24-15-6)69(54-39-30-21-12-3)80(92(87)89(82)84)65-44-35-26-17-8;1-7-13-19-25-37-52-49-64-55-40-31-34-43-58(55)67-70(73(64)61(52)46-28-22-16-10-4)68-59-44-35-32-41-56(59)65-50-53(38-26-20-14-8-2)63(48-30-24-18-12-6)75(65)72(68)69-60-45-36-33-42-57(60)66-51-54(39-27-21-15-9-3)62(74(66)71(67)69)47-29-23-17-11-5;1-4-7-10-13-22-37-31-46-40-25-16-19-28-43(40)49-52(55(46)34-37)50-44-29-20-17-26-41(44)47-32-38(23-14-11-8-5-2)36-57(47)54(50)51-45-30-21-18-27-42(45)48-33-39(24-15-12-9-6-3)35-56(48)53(49)51;1-4-7-10-13-22-37-31-34-46-40-25-16-19-28-43(40)49-52(55(37)46)50-44-29-20-17-26-41(44)47-35-32-38(23-14-11-8-5-2)56(47)54(50)51-45-30-21-18-27-42(45)48-36-33-39(57(48)53(49)51)24-15-12-9-6-3/h46-51,55-57,61-63H,10-45,52-54,58-60,64-66H2,1-9H3;31-36,40-45,49-51H,7-30,37-39,46-48H2,1-6H3;2*16-21,25-36H,4-15,22-24H2,1-3H3.
What are the key properties of 4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene?
4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene has a molecular weight of 3749.74 g/mol, XLogP of 82.03, 105 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,5,6,17,18,19,30,31,32-nonahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;4,17,30-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene;5,18,31-trihexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene is sourced from PubChem (CID 160714623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).